8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

C17H24N4O3 — CID 70721542

IUPAC8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)C3)nc(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-11(2)7-12-8-13(20-16(24)19-12)15(23)21-5-3-17(4-6-21)9-14(22)18-10-17/h8,11H,3-7,9-10H2,1-2H3,(H,18,22)(H,19,20,24)
InChIKeyUOROSAQCHYRNER-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.71
Rot. Bonds3

About 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70721542) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70721542
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)C3)nc(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-11(2)7-12-8-13(20-16(24)19-12)15(23)21-5-3-17(4-6-21)9-14(22)18-10-17/h8,11H,3-7,9-10H2,1-2H3,(H,18,22)(H,19,20,24)
InChIKeyUOROSAQCHYRNER-UHFFFAOYSA-N
XLogP0.71
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-6-isobutylpyrimidin-2(1H)-one
CID 56704974
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882354
8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane
CID 145197878
1-(2-{[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]amino}ethyl)piperidine-3-carboxamide
CID 46993557
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
(3S)-1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide
CID 52393213
(3R)-1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide
CID 52393215
(2S,4S)-4-amino-1-[(6-isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]-N-isopropylpyrrolidine-2-carboxamide
CID 56702502
8-[3-(2-Hydroxy-4,6-dimethyl-5-pyrimidinyl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70770720
2-[3-(2-Hydroxy-4,6-dimethylpyrimidin-5-YL)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72845238
8-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72907284
2-[3-(2-Hydroxy-4,6-dimethylpyrimidin-5-YL)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72921933

Frequently Asked Questions

What is the IUPAC name of 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70721542) is 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is CC(C)Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)C3)nc(=O)[nH]1.
What is the InChIKey of 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UOROSAQCHYRNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)7-12-8-13(20-16(24)19-12)15(23)21-5-3-17(4-6-21)9-14(22)18-10-17/h8,11H,3-7,9-10H2,1-2H3,(H,18,22)(H,19,20,24).
What are the key properties of 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 332.40 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70721542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).